SCHEMBL961002

SCHEMBL961002

C=CCC(C(=O)NC(=Nc1ccc(-n2cnc(Cl)c2)c(OC)c1)SC)c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.38
KLKB1 P03952 11/20 0.38
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
APP P05067 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL961001 1.00 F11 (0.38) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL15049710 0.83 F11 (0.40) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960931 0.78 F11 (0.35) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL3789882 0.77 F11 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL965131 0.73 F11 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL964618 0.71 PSEN1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL12918119 0.69 NOS3 (0.42) F11KLKB1PSEN1PSEN2APH1B
Iodide SCHEMBL961138 0.69 NOS3 (0.43) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960134 0.67 PSEN1 (0.41) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL13977850 0.66 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 F11 2961/4885KLKB1 4390/4885PSEN1 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.